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- W3004650315 abstract "I shall present a systematic study of the lowest electronically excited state of alkali (Li, Na, K, Rb) atoms in helium clusters with up to 15 helium atoms, for which a diatomics-in-molecule model combined with an Importance-Sampling Diffusion Monte Carlo (IS-DMC) technique to compute the vibrational ground state energies has been used. Solvation structures are examined via various density distributions. Results show a first solvation shell around the np-orbital completed with 5(le n le 7) depending on the alkali atom and in agreement with other theoretical works. Except for Li, a shift of one helium atom is observed between classical and quantum first filled shells. Dealing with the number of helium atoms in the second shell, for K and Rb a closure at eleven atoms can be easily concluded whereas number ranging from 9 to 11 for Li and 9 or 10 for Na are found. The planar structures of the Ak(^{star })He(_n) obtained in the first shell are maintened up to the second shell and the radius of the second shells are twice as large as the inner ones." @default.
- W3004650315 created "2020-02-14" @default.
- W3004650315 creator A5079880464 @default.
- W3004650315 date "2020-01-01" @default.
- W3004650315 modified "2023-09-27" @default.
- W3004650315 title "Quantum Study of Helium Clusters Doped with Electronically Excited Li, Na, K and Rb Atoms" @default.
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- W3004650315 doi "https://doi.org/10.1007/978-3-030-34941-7_5" @default.
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